LAMMPS (17 Feb 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# Simple rigid body system

units           lj
atom_style      atomic

pair_style      lj/cut 2.5

read_data       data.rigid
Reading data file ...
  orthogonal box = (-12 -12 -12) to (12 12 12)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  81 atoms
  read_data CPU = 0.000 seconds

velocity        all create 100.0 4928459

# unconnected bodies

group           clump1 id <> 1 9
9 atoms in group clump1
group           clump2 id <> 10 18
9 atoms in group clump2
group           clump3 id <> 19 27
9 atoms in group clump3
group           clump4 id <> 28 36
9 atoms in group clump4
group           clump5 id <> 37 45
9 atoms in group clump5
group           clump6 id <> 46 54
9 atoms in group clump6
group           clump7 id <> 55 63
9 atoms in group clump7
group           clump8 id <> 64 72
9 atoms in group clump8
group           clump9 id <> 73 81
9 atoms in group clump9

fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5                       clump6 clump7 clump8 clump9                        infile  bodyinfo.dat
  9 rigid bodies with 81 atoms

neigh_modify    exclude group clump1 clump1
neigh_modify    exclude group clump2 clump2
neigh_modify    exclude group clump3 clump3
neigh_modify    exclude group clump4 clump4
neigh_modify    exclude group clump5 clump5
neigh_modify    exclude group clump6 clump6
neigh_modify    exclude group clump7 clump7
neigh_modify    exclude group clump8 clump8
neigh_modify    exclude group clump9 clump9

thermo          100

#dump           1 all atom 50 dump.rigid

#dump           2 all image 100 image.*.jpg type type #               axes yes 0.8 0.02 view 60 -30
#dump_modify    2 pad 5

#dump           3 all movie 100 movie.mpg type type #               axes yes 0.8 0.02 view 60 -30
#dump_modify    3 pad 5

timestep        0.0001
thermo          50
run             10000
  generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Reading rigid body data for 4 bodies from file bodyinfo.dat
Reading rigid body data for 4 bodies from file bodyinfo.dat
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 18 18 18
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.201 | 4.233 | 4.327 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0    115.29439    5235.9179            0    5272.2142   -2.7403788 
      50    14910.685    571.71558            0      5265.82    32.006171 
     100    16298.442    136.66184            0     5267.653    16.444229 
     150    16682.606    17.490511            0    5269.4219    14.900344 
     200    16733.929     1.372872            0    5269.4617    14.569267 
     250    16738.853  -0.15252816            0    5269.4864    14.496404 
     300    16738.588 -0.055171335            0    5269.5002    14.496025 
     350    16738.492 -0.017444677            0    5269.5077    14.496446 
     400    16738.464 -0.0060102023            0    5269.5104    14.496618 
     450    16738.455 -0.0012713351            0    5269.5124    14.496701 
     500    16738.455 -0.00081068621            0    5269.5128    14.496709 
     550    16738.455 -0.00083203497            0    5269.5129    14.496707 
     600    16738.455 -0.00058355356            0    5269.5131    14.496709 
     650    16738.455 -0.00047226704            0    5269.5131    14.496708 
     700    16738.455            0            0    5269.5136    14.496713 
     750    16738.455            0            0    5269.5136     14.49671 
     800    16738.455            0            0    5269.5137    14.496709 
     850    16738.455            0            0    5269.5137     14.49671 
     900    16738.456            0            0    5269.5138    14.496713 
     950    16738.462 -0.0035323872            0    5269.5122    14.496671 
    1000    16738.586 -0.051135144            0    5269.5036    14.496229 
    1050    16737.358   0.32995057            0    5269.4981    14.525763 
    1100    16737.892   0.16210246            0    5269.4984    14.531983 
    1150    16738.703 -0.089235095            0    5269.5025    14.509899 
    1200    16738.466 -0.0075446243            0    5269.5096    14.510615 
    1250    16738.456            0            0     5269.514    14.510704 
    1300    16738.457            0            0    5269.5141    14.510701 
    1350    16738.457            0            0    5269.5141    14.510699 
    1400    16738.457 -0.00044736511            0    5269.5138    14.510693 
    1450    16738.458 -0.0010971179            0    5269.5134    14.510687 
    1500    16738.458 -0.00057885428            0    5269.5139    14.510698 
    1550    16738.457            0            0    5269.5143     14.51071 
    1600    16738.457            0            0    5269.5144    14.510712 
    1650    16738.457            0            0    5269.5144    14.510712 
    1700    16738.458            0            0    5269.5144     14.51071 
    1750    16738.458            0            0    5269.5145    14.510708 
    1800    16738.458            0            0    5269.5145    14.510706 
    1850    16738.458            0            0    5269.5146    14.510705 
    1900    16738.458            0            0    5269.5146    14.510706 
    1950    16738.465 -0.0031733615            0    5269.5134    14.510659 
    2000    16738.491 -0.013255268            0    5269.5117    14.510532 
    2050    16738.556   -0.0365811            0    5269.5087     14.51029 
    2100    16738.633 -0.063209659            0    5269.5065    14.510219 
    2150    16738.607  -0.05601761            0    5269.5055    14.510231 
    2200    16738.557 -0.038423032            0    5269.5072    14.510404 
    2250    16738.515 -0.023709918            0    5269.5088    14.510539 
    2300    16738.489 -0.013249035            0    5269.5111    14.510621 
    2350    16738.468 -0.0045563719            0    5269.5131    14.510714 
    2400     16738.46 -0.00052194273            0    5269.5146    14.510771 
    2450    16738.464 -0.0023259756            0     5269.514    14.510746 
    2500    16738.468 -0.0051929186            0    5269.5127    14.510731 
    2550    16738.581 -0.044940117            0    5269.5085    14.510315 
    2600    16738.427 -7.972279e-05            0    5269.5046    14.510657 
    2650    16733.017    1.7051479            0    5269.5067    14.596295 
    2700    16738.761  -0.10614946            0    5269.5038    14.499584 
    2750    16733.973    1.4038179            0    5269.5064    14.598107 
    2800    16738.585 -0.046813448            0    5269.5076    14.511073 
    2850    16738.487 -0.012558719            0    5269.5111    14.510111 
    2900    16738.465 -0.0026252725            0     5269.514    14.510277 
    2950    16738.476 -0.0082220764            0     5269.512    14.510223 
    3000     16738.66 -0.071284779            0     5269.507    14.509758 
    3050    16715.332    7.2419352            0     5269.476    14.870305 
    3100    16653.226    26.818761            0    5269.5009    14.496764 
    3150    16739.351  -0.30690375            0    5269.4886    13.643904 
    3200    16733.238    1.6025328            0    5269.4737    12.016934 
    3250    16734.374    1.2554429            0    5269.4841    11.963561 
    3300    16732.156    1.9585967            0    5269.4893    12.234024 
    3350    16738.655 -0.079693236            0     5269.497    12.092757 
    3400    16738.543 -0.042215005            0    5269.4991    12.092809 
    3450    16738.591 -0.059327511            0    5269.4972    12.092536 
    3500    16738.759  -0.11761245            0    5269.4918     12.09203 
    3550    16713.405    7.8460621            0    5269.4737    12.389816 
    3600    16734.939    1.0821936            0    5269.4891    12.173591 
    3650    16738.808  -0.13663194            0    5269.4882    12.027009 
    3700    16738.602 -0.070934368            0    5269.4889    12.025288 
    3750    16737.731   0.20706557            0    5269.4927    12.061948 
    3800    16738.578  -0.05582043            0    5269.4965    12.035665 
    3850    16738.471 -0.016307928            0    5269.5024    12.035302 
    3900    16738.449 -0.0058182199            0    5269.5059    12.035401 
    3950    16738.439 -0.0012027325            0    5269.5074    12.035461 
    4000    16738.436 -0.00020698452            0    5269.5075    12.035469 
    4050    16738.437            0            0    5269.5078    12.035454 
    4100    16738.437            0            0     5269.508    12.035435 
    4150    16738.438            0            0    5269.5081    12.035426 
    4200    16738.438            0            0    5269.5083    12.035432 
    4250    16738.439            0            0    5269.5085    12.035447 
    4300    16738.439            0            0    5269.5086    12.035463 
    4350     16738.44            0            0    5269.5087    12.035474 
    4400     16738.44            0            0    5269.5088    12.035478 
    4450     16738.44            0            0    5269.5089    12.035474 
    4500     16738.44            0            0     5269.509    12.035462 
    4550    16738.441            0            0    5269.5092    12.035449 
    4600    16738.441            0            0    5269.5093    12.035445 
    4650    16738.442            0            0    5269.5095    12.035451 
    4700    16738.442            0            0    5269.5096     12.03546 
    4750    16738.443            0            0    5269.5097    12.035465 
    4800    16738.443            0            0    5269.5098    12.035466 
    4850    16738.443            0            0      5269.51    12.035463 
    4900    16738.444            0            0    5269.5101    12.035456 
    4950    16738.444            0            0    5269.5102    12.035447 
    5000    16738.445            0            0    5269.5104     12.03544 
    5050    16738.445            0            0    5269.5105    12.035442 
    5100    16738.446            0            0    5269.5107    12.035455 
    5150    16738.446            0            0    5269.5108     12.03547 
    5200    16738.446            0            0    5269.5109    12.035479 
    5250    16738.447            0            0     5269.511    12.035479 
    5300    16738.447            0            0    5269.5111     12.03547 
    5350    16738.447            0            0    5269.5112    12.035454 
    5400    16738.448            0            0    5269.5113    12.035434 
    5450    16738.448            0            0    5269.5115     12.03542 
    5500    16738.449            0            0    5269.5117    12.035422 
    5550    16738.457 -0.0030919234            0    5269.5111    12.035383 
    5600     16738.51 -0.021618357            0    5269.5092    12.035106 
    5650    16738.622 -0.059214788            0     5269.507    12.035694 
    5700     16395.28    108.06941            0    5269.5463    24.369038 
    5750    16738.544 -0.033973429            0    5269.5077    12.011261 
    5800    16738.456 -0.0037013529            0    5269.5102    12.011675 
    5850    16738.451            0            0    5269.5123    12.011709 
    5900    16738.451 -0.00022115871            0    5269.5122    12.011687 
    5950    16738.452 -0.00024253349            0    5269.5124    12.011678 
    6000    16738.452            0            0    5269.5128    12.011688 
    6050    16738.453            0            0     5269.513    12.011702 
    6100    16738.453            0            0    5269.5131    12.011716 
    6150    16738.454            0            0    5269.5132    12.011725 
    6200    16738.454            0            0    5269.5133    12.011728 
    6250    16738.454            0            0    5269.5134    12.011723 
    6300    16738.455            0            0    5269.5135    12.011712 
    6350    16738.455            0            0    5269.5137      12.0117 
    6400    16738.456            0            0    5269.5138    12.011697 
    6450    16738.456            0            0     5269.514    12.011704 
    6500    16738.456            0            0    5269.5141    12.011714 
    6550    16738.457            0            0    5269.5142    12.011719 
    6600    16738.457            0            0    5269.5143    12.011718 
    6650    16738.458            0            0    5269.5144    12.011713 
    6700    16738.458            0            0    5269.5146    12.011705 
    6750    16738.459            0            0    5269.5147    12.011696 
    6800    16738.459            0            0    5269.5149     12.01169 
    6850     16738.46            0            0     5269.515    12.011695 
    6900     16738.46            0            0    5269.5152     12.01171 
    6950     16738.46            0            0    5269.5153    12.011726 
    7000    16738.461            0            0    5269.5154    12.011736 
    7050    16738.461            0            0    5269.5155    12.011737 
    7100    16738.461            0            0    5269.5155    12.011728 
    7150    16738.461            0            0    5269.5156    12.011712 
    7200    16738.462            0            0    5269.5158    12.011691 
    7250    16738.463            0            0     5269.516    12.011676 
    7300    16738.463            0            0    5269.5162    12.011677 
    7350    16738.464            0            0    5269.5164    12.011693 
    7400    16738.464            0            0    5269.5165    12.011713 
    7450    16738.465            0            0    5269.5166    12.011729 
    7500    16738.465            0            0    5269.5167    12.011736 
    7550    16738.465            0            0    5269.5168    12.011734 
    7600    16738.465            0            0    5269.5168    12.011722 
    7650    16738.466            0            0     5269.517    12.011704 
    7700    16738.466            0            0    5269.5171    12.011687 
    7750    16738.467            0            0    5269.5173    12.011681 
    7800    16738.467            0            0    5269.5175    12.011687 
    7850    16738.468            0            0    5269.5176      12.0117 
    7900    16738.468            0            0    5269.5178    12.011712 
    7950    16738.469            0            0    5269.5179    12.011721 
    8000    16738.469            0            0     5269.518    12.011724 
    8050    16738.469            0            0    5269.5181     12.01172 
    8100     16738.47            0            0    5269.5182    12.011709 
    8150     16738.47            0            0    5269.5183      12.0117 
    8200     16738.47            0            0    5269.5185      12.0117 
    8250    16738.471            0            0    5269.5186    12.011709 
    8300    16738.471            0            0    5269.5187    12.011719 
    8350    16738.472            0            0    5269.5189    12.011723 
    8400    16738.472            0            0     5269.519     12.01172 
    8450    16738.473 -0.00039690664            0    5269.5189    12.011706 
    8500    16738.481 -0.0034646803            0    5269.5182    12.011643 
    8550    16738.483 -0.004530741            0    5269.5178     12.01162 
    8600    16738.474 -0.00076532813            0    5269.5189    12.011681 
    8650    16738.474            0            0    5269.5197    12.011699 
    8700    16738.475            0            0    5269.5199    12.011715 
    8750    16738.475            0            0      5269.52    12.011732 
    8800    16738.475            0            0      5269.52    12.011743 
    8850    16738.476            0            0    5269.5201    12.011744 
    8900    16738.476            0            0    5269.5202    12.011735 
    8950    16738.476            0            0    5269.5203    12.011719 
    9000    16738.477            0            0    5269.5205    12.011698 
    9050    16738.477            0            0    5269.5206    12.011683 
    9100    16738.478            0            0    5269.5208    12.011684 
    9150    16738.479            0            0     5269.521    12.011701 
    9200    16738.479            0            0    5269.5212    12.011722 
    9250    16738.479            0            0    5269.5213    12.011738 
    9300     16738.48            0            0    5269.5214    12.011746 
    9350     16738.48            0            0    5269.5214    12.011744 
    9400     16738.48            0            0    5269.5215    12.011732 
    9450     16738.48            0            0    5269.5216    12.011715 
    9500    16738.481 -0.00037652436            0    5269.5216    12.011692 
    9550    16738.493 -0.0053156168            0    5269.5203    12.011611 
    9600    16738.549 -0.026814371            0    5269.5163    12.011415 
    9650    16738.765  -0.10191524            0    5269.5092    12.011013 
    9700    16735.041    1.0589899            0    5269.4979    12.062708 
    9750    16738.013   0.13550149            0    5269.5101    11.407246 
    9800    16738.512 -0.011620325            0    5269.5201    11.394974 
    9850    16738.489 -0.00067270428            0    5269.5237    11.395099 
    9900    16738.489 -0.0002498452            0    5269.5242    11.395085 
    9950     16738.49            0            0    5269.5245    11.395077 
   10000     16738.49            0            0    5269.5246    11.395076 
Loop time of 0.100422 on 4 procs for 10000 steps with 81 atoms

Performance: 860368.209 tau/day, 99579.654 timesteps/s
99.0% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0014853  | 0.0020649  | 0.0026245  |   0.9 |  2.06
Neigh   | 0.0075956  | 0.0080256  | 0.0091971  |   0.8 |  7.99
Comm    | 0.037221   | 0.041059   | 0.043195   |   1.2 | 40.89
Output  | 0.0020995  | 0.0023594  | 0.003073   |   0.8 |  2.35
Modify  | 0.041318   | 0.042855   | 0.044215   |   0.5 | 42.67
Other   |            | 0.004059   |            |       |  4.04

Nlocal:          20.25 ave          38 max           3 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Nghost:          27.25 ave          48 max          13 min
Histogram: 1 0 1 1 0 0 0 0 0 1
Neighs:              0 ave           0 max           0 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 998
Dangerous builds = 997
Total wall time: 0:00:00
